369. Compiling ECCE 6.4 on Fedora 18

Original post
(there were initially some issues with getops.pl being deprecated. Fixed now)

This post on the NWChem/ECCE forum got me interested in trying to build ECCE on Fedora 18.

I'm presuming that you just clicked your way through the fedora 18 installation so that e.g. java-1.7.0-openjdk is already installed. Note that the default partitioning scheme in Fedora may lead to a very small (<1 Gb) /tmp partition, which may prevent you from building properly, so be aware.

Building form source will solve at the very least :
* the issues of there being no 32 bit binary (build your own)
* issues with ubuntu libraries (libXfixes) if you try to install an older 32 bit binary

You'll also have access to the source code which means that you could -- at least in theory -- contribute to the project by doing bug fixes.

Building is easy once you've got all dependencies figured out. The initial run of the build script misses the detection of two required sets of packages: openGL libs, and perl-Digest-MD5

Start here1. Download
Go to http://ecce.emsl.pnl.gov/using/download.shtml, fill out the form, and download the source code on the next page (ecce-v6.4-src.tar.gz). Create the folder ~/tmp (mkdir ~/tmp) and put ecce-v6.4-src.tar.bz2 in ~/tmp

(if you're doing this in virtualbox, the way to get openGL libs is via the virtualbox guest additions, and in order to build those you'll need the kernel headers (kernel-devel package) for the currently running kernel)

3. Build

pwd

/home/verahill/tmp/ecce-v6.4/build

./build_ecce

The script will see if all the requirements are met by stating what version is needed and echoing the currently installed version of different dependencies. Presumably all of the requirements will be met after installing the dependencies in step 2. At the very end you'll be asked

Do you want to skip these checks for future build_ecce invocations (y/n)? Y